Aureusimine B 50mg

CAT: 0628-A23529-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A23529-50Size:50 mg

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CAS Number

170713-71-0

Chemical Information

Phevalin

Phevalin is a member of the class of pyrazinones that is pyrazin-2(1H)-one substituted by an isopropyl and benzyl groups at position 3 and 6, respectively. It is a natural product found in Staphylococcus aureus that inhibits calpain in a casein hydrolysis assay (IC50 = 1.3 M), contributes to S. aureus infection in mice, and alters human keratinocyte gene expression. It has a role as a bacterial metabolite and a calpain inhibitor. It is a pyrazinone and a member of benzenes.

CAS Number	170713-71-0
PubChem CID	10376483
IUPAC Name	6-benzyl-3-propan-2-yl-1H-pyrazin-2-one
Molecular Formula	C14H16N2O
Molecular Weight	228.29
XLogP	2.2
Topological Polar Surface Area	41.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	349

SMILES

CC(C)C1=NC=C(NC1=O)CC2=CC=CC=C2

InChI

InChI=1S/C14H16N2O/c1-10(2)13-14(17)16-12(9-15-13)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,16,17)

InChIKey

CZUORGWXUVRUMV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 170713-71-0

CID: 10376483

Formula: C14H16N2O

MW: 228.29

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	228.29
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	228.126263138
Monoisotopic Mass	228.126263138
Topological Polar Surface Area	41.5 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	349
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Aureusimine B 50mg

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